REMARK  Name = BDB062512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.964  -1.691   1.179  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1       -0.117  -0.808   0.543  0.00  0.00    -0.279 N 
ATOM      3  H   LIG    1       -0.465  -0.382  -0.310  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.657  -2.432   2.104  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -3.788   1.450  -0.747  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1       -2.870   0.695  -0.103  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -3.066  -0.720   0.049  0.00  0.00    +0.062 A 
ATOM      8  N   LIG    1       -4.272  -1.256  -0.420  0.00  0.00    -0.312 N 
ATOM      9  C   LIG    1       -4.319  -2.608  -0.097  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -3.125  -2.907   0.543  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -5.215  -0.470  -1.091  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1       -2.309  -1.744   0.600  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -4.996   0.841  -1.274  0.00  0.00    +0.064 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.426  -3.514  -0.384  0.00  0.00    +0.177 C 
ATOM     15  O   LIG    1       -6.444  -3.182  -0.989  0.00  0.00    -0.291 OA
ATOM     16  C   LIG    1       -5.288  -4.940   0.098  0.00  0.00    +0.093 C 
ENDBRANCH   9  14
BRANCH   5  18
ATOM     17  C   LIG    1       -2.608   3.517  -0.501  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.743   2.803  -0.974  0.00  0.00    -0.495 OA
ENDBRANCH   5  18
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1        1.219  -0.493   0.869  0.00  0.00    +0.071 A 
ATOM     20  C   LIG    1        1.880   0.403   0.011  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1        1.192   0.879  -1.042  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1        3.208   0.796   0.226  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.877   0.275   1.342  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        3.231  -0.616   2.213  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1        1.902  -0.997   1.975  0.00  0.00    +0.041 A 
BRANCH  22  26
ATOM     26  C   LIG    1        3.869   1.729  -0.676  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.234   1.834  -0.860  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        5.427   2.817  -1.788  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        6.687   3.287  -2.310  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        4.283   3.367  -2.228  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        3.338   2.701  -1.559  0.00  0.00    +0.143 A 
ENDBRANCH  22  26
BRANCH  24  32
ATOM     32  C   LIG    1        3.918  -1.173   3.405  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        3.428  -1.917   4.233  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        5.197  -0.771   3.503  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        5.515  -1.211   4.320  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH   2  19
TORSDOF 7